N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide

C26H35NO5S — CID 142380248

IUPACN-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1
InChIInChI=1S/C26H35NO5S/c1-4-19-5-7-21(8-6-19)27(17-18(2)3)33(29,30)22-9-10-25-23(15-22)24(28)16-26(32-25)20-11-13-31-14-12-20/h5-10,15,18,20,24,26,28H,4,11-14,16-17H2,1-3H3
InChIKeyKTUUNRBNZNVZPP-UHFFFAOYSA-N
MW473.64 g/mol
LogP4.71
Rot. Bonds7

About N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide

N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 142380248) has the molecular formula C26H35NO5S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID142380248
Molecular FormulaC26H35NO5S
Molecular Weight473.64 g/mol
Exact Mass473.22
IUPAC NameN-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1
InChIInChI=1S/C26H35NO5S/c1-4-19-5-7-21(8-6-19)27(17-18(2)3)33(29,30)22-9-10-25-23(15-22)24(28)16-26(32-25)20-11-13-31-14-12-20/h5-10,15,18,20,24,26,28H,4,11-14,16-17H2,1-3H3
InChIKeyKTUUNRBNZNVZPP-UHFFFAOYSA-N
XLogP4.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 142380397
(2R)-N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 166628145
N-(4-ethylphenyl)-4-methyl-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-6-amine;methanol
CID 142380327
6-[4-ethyl-N-(oxetan-3-yl)anilino]sulfanyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 142380254
N-(4-ethylphenyl)-4-hydroxy-1-[(3-hydroxycyclobutyl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 121420902
N-(4-ethylphenyl)-4-hydroxy-1-[(3-methyloxetan-3-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 121420910
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
[4-hydroxy-2-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-chromen-6-yl] N-(4-ethylphenyl)-N-(2-methylpropyl)carbamate
CID 142380400
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]benzenesulfonamide
CID 121414176
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-hydroxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 142380267

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide (CID 142380248) is N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CC(C2CCOCC2)O3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is KTUUNRBNZNVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO5S/c1-4-19-5-7-21(8-6-19)27(17-18(2)3)33(29,30)22-9-10-25-23(15-22)24(28)16-26(32-25)20-11-13-31-14-12-20/h5-10,15,18,20,24,26,28H,4,11-14,16-17H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 473.64 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 142380248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).